5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde

C7H6F2N2O2 — CID 130104885

IUPAC5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
SMILESNc1cnc(C(F)F)c(O)c1C=O
InChIInChI=1S/C7H6F2N2O2/c8-7(9)5-6(13)3(2-12)4(10)1-11-5/h1-2,7,13H,10H2
InChIKeyHBDYQUXRRXJKOK-UHFFFAOYSA-N
MW188.13 g/mol
LogP1.12
Rot. Bonds2

About 5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde

5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde (PubChem CID 130104885) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
PubChem CID130104885
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
SMILESNc1cnc(C(F)F)c(O)c1C=O
InChIInChI=1S/C7H6F2N2O2/c8-7(9)5-6(13)3(2-12)4(10)1-11-5/h1-2,7,13H,10H2
InChIKeyHBDYQUXRRXJKOK-UHFFFAOYSA-N
XLogP1.12
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118845258
5-amino-4-chloro-2-(difluoromethyl)pyridin-3-ol
CID 130102480
4-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118829702
2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile
CID 130076837
3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 130106112
4-amino-2-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118829242
3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde
CID 130069374
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde
CID 118854258
2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
CID 119003621
3-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carbaldehyde
CID 130070863
5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130104215
4-amino-6-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118851291

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde?
The IUPAC name of 5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde (CID 130104885) is 5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde.
What is the SMILES notation for 5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde?
The canonical SMILES for 5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde is Nc1cnc(C(F)F)c(O)c1C=O.
What is the InChIKey of 5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde?
The InChIKey is HBDYQUXRRXJKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c8-7(9)5-6(13)3(2-12)4(10)1-11-5/h1-2,7,13H,10H2.
What are the key properties of 5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde?
5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde has a molecular weight of 188.13 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde is sourced from PubChem (CID 130104885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).